1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide

C26H34N2O3S — CID 50822425

IUPAC1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H34N2O3S/c1-25(2,3)19-11-15-23(16-12-19)32(30,31)28-22-13-9-20(10-14-22)26(17-18-26)24(29)27-21-7-5-4-6-8-21/h9-16,21,28H,4-8,17-18H2,1-3H3,(H,27,29)
InChIKeyGBJJBHFFMTYCPI-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.27
Rot. Bonds6

About 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide (PubChem CID 50822425) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
PubChem CID50822425
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H34N2O3S/c1-25(2,3)19-11-15-23(16-12-19)32(30,31)28-22-13-9-20(10-14-22)26(17-18-26)24(29)27-21-7-5-4-6-8-21/h9-16,21,28H,4-8,17-18H2,1-3H3,(H,27,29)
InChIKeyGBJJBHFFMTYCPI-UHFFFAOYSA-N
XLogP5.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822304
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
N-cycloheptyl-1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061943
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide (CID 50822425) is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide?
The InChIKey is GBJJBHFFMTYCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-25(2,3)19-11-15-23(16-12-19)32(30,31)28-22-13-9-20(10-14-22)26(17-18-26)24(29)27-21-7-5-4-6-8-21/h9-16,21,28H,4-8,17-18H2,1-3H3,(H,27,29).
What are the key properties of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide?
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide is sourced from PubChem (CID 50822425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).